[1-(4-amino-5-cyanopyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C10H10FN5O3S — CID 168677320

IUPAC[1-(4-amino-5-cyanopyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESN#Cc1cnc(N2CC(CS(=O)(=O)F)CC2=O)nc1N
InChIInChI=1S/C10H10FN5O3S/c11-20(18,19)5-6-1-8(17)16(4-6)10-14-3-7(2-12)9(13)15-10/h3,6H,1,4-5H2,(H2,13,14,15)
InChIKeyKPOWRKWITSJRFB-UHFFFAOYSA-N
MW299.29 g/mol
LogP-0.42
Rot. Bonds3

About [1-(4-amino-5-cyanopyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(4-amino-5-cyanopyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168677320) has the molecular formula C10H10FN5O3S and a molecular weight of 299.29 g/mol. Its IUPAC name is [1-(4-amino-5-cyanopyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(4-amino-5-cyanopyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168677320
Molecular FormulaC10H10FN5O3S
Molecular Weight299.29 g/mol
Exact Mass299.05
IUPAC Name[1-(4-amino-5-cyanopyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESN#Cc1cnc(N2CC(CS(=O)(=O)F)CC2=O)nc1N
InChIInChI=1S/C10H10FN5O3S/c11-20(18,19)5-6-1-8(17)16(4-6)10-14-3-7(2-12)9(13)15-10/h3,6H,1,4-5H2,(H2,13,14,15)
InChIKeyKPOWRKWITSJRFB-UHFFFAOYSA-N
XLogP-0.42
TPSA130.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(4-amino-5-cyanopyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(4-amino-5-cyanopyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168677320) is [1-(4-amino-5-cyanopyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(4-amino-5-cyanopyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(4-amino-5-cyanopyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is N#Cc1cnc(N2CC(CS(=O)(=O)F)CC2=O)nc1N.
What is the InChIKey of [1-(4-amino-5-cyanopyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is KPOWRKWITSJRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5O3S/c11-20(18,19)5-6-1-8(17)16(4-6)10-14-3-7(2-12)9(13)15-10/h3,6H,1,4-5H2,(H2,13,14,15).
What are the key properties of [1-(4-amino-5-cyanopyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(4-amino-5-cyanopyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 299.29 g/mol, XLogP of -0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-amino-5-cyanopyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168677320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).